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Compile Data Set for Download or QSAR

Found 189 hits with Last Name = 'richard' and Initial = 'md'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377180
PNG
(CHEMBL401633)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2c1 |w:14.13|
Show InChI InChI=1S/C16H16ClN5/c17-11-4-5-16-19-9-14(22(16)10-11)13-2-1-3-15(21-13)20-12-6-7-18-8-12/h1-5,9-10,12,18H,6-8H2,(H,20,21)
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n/an/a 1n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 1n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377165
PNG
(CHEMBL255867)
Show SMILES C1CC(CCN1)Nc1cccc(n1)-c1cnc2ccc(cn12)-c1cc[nH]n1
Show InChI InChI=1S/C20H21N7/c1-2-17(25-19(3-1)24-15-6-9-21-10-7-15)18-12-22-20-5-4-14(13-27(18)20)16-8-11-23-26-16/h1-5,8,11-13,15,21H,6-7,9-10H2,(H,23,26)(H,24,25)
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n/an/a 2n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377175
PNG
(CHEMBL436653)
Show SMILES Clc1ccc2ncn(-c3cccc(NC4CCNCC4)n3)c2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-14-15(10-12)23(11-20-14)17-3-1-2-16(22-17)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50271563
PNG
(CHEMBL482708 | N-cyclohexyl-4-(H-imidazo[1,2-a]pyr...)
Show SMILES CN(C1CCCCC1)c1nccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C18H21N5/c1-22(14-7-3-2-4-8-14)18-19-11-10-15(21-18)16-13-20-17-9-5-6-12-23(16)17/h5-6,9-14H,2-4,7-8H2,1H3
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n/an/a 3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin)


Bioorg Med Chem Lett 18: 3291-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.039
BindingDB Entry DOI: 10.7270/Q2NZ87FX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50219014
PNG
(CHEMBL149559)
Show SMILES CCc1cc2c(cnc(OC(F)F)c2o1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
Show InChI InChI=1S/C16H11Cl2F2N3O4/c1-2-7-3-8-9(4-21-15(13(8)26-7)27-16(19)20)14(24)22-12-10(17)5-23(25)6-11(12)18/h3-6,16H,2H2,1H3,(H,22,24)
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n/an/a 3.70n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells


Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377168
PNG
(CHEMBL255873)
Show SMILES N#Cc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C18H18N6/c19-10-13-4-5-18-21-11-16(24(18)12-13)15-2-1-3-17(23-15)22-14-6-8-20-9-7-14/h1-5,11-12,14,20H,6-9H2,(H,22,23)
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n/an/a 4n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377163
PNG
(CHEMBL403358)
Show SMILES NC(=O)c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C18H20N6O/c19-18(25)12-4-5-17-21-10-15(24(17)11-12)14-2-1-3-16(23-14)22-13-6-8-20-9-7-13/h1-5,10-11,13,20H,6-9H2,(H2,19,25)(H,22,23)
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n/an/a 5n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377181
PNG
(CHEMBL256963 | US11254667, Compound I-15 | US11542...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1
Show InChI InChI=1S/C15H14ClN5/c16-10-4-5-15-18-8-13(21(15)9-10)12-2-1-3-14(20-12)19-11-6-17-7-11/h1-5,8-9,11,17H,6-7H2,(H,19,20)
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n/an/a 6n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377169
PNG
(CHEMBL402629)
Show SMILES COc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C18H21N5O/c1-24-14-5-6-18-20-11-16(23(18)12-14)15-3-2-4-17(22-15)21-13-7-9-19-10-8-13/h2-6,11-13,19H,7-10H2,1H3,(H,21,22)
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n/an/a 6n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377166
PNG
(CHEMBL255446)
Show SMILES Cn1cc(cn1)-c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C21H23N7/c1-27-13-16(11-24-27)15-5-6-21-23-12-19(28(21)14-15)18-3-2-4-20(26-18)25-17-7-9-22-10-8-17/h2-6,11-14,17,22H,7-10H2,1H3,(H,25,26)
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n/an/a 7n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377186
PNG
(CHEMBL403433)
Show SMILES COc1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1
Show InChI InChI=1S/C16H17N5O/c1-22-12-5-6-16-18-9-14(21(16)10-12)13-3-2-4-15(20-13)19-11-7-17-8-11/h2-6,9-11,17H,7-8H2,1H3,(H,19,20)
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n/an/a 7n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377167
PNG
(CHEMBL402361)
Show SMILES COc1ccc(cn1)-c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C23H24N6O/c1-30-23-8-6-16(13-26-23)17-5-7-22-25-14-20(29(22)15-17)19-3-2-4-21(28-19)27-18-9-11-24-12-10-18/h2-8,13-15,18,24H,9-12H2,1H3,(H,27,28)
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n/an/a 8n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377179
PNG
(CHEMBL256961)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCCNC4)n3)n2c1 |w:14.13|
Show InChI InChI=1S/C17H18ClN5/c18-12-6-7-17-20-10-15(23(17)11-12)14-4-1-5-16(22-14)21-13-3-2-8-19-9-13/h1,4-7,10-11,13,19H,2-3,8-9H2,(H,21,22)
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n/an/a 9n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377172
PNG
(CHEMBL404473)
Show SMILES Cc1ccc2ncn(-c3cccc(NC4CCNCC4)n3)c2c1
Show InChI InChI=1S/C18H21N5/c1-13-5-6-15-16(11-13)23(12-20-15)18-4-2-3-17(22-18)21-14-7-9-19-10-8-14/h2-6,11-12,14,19H,7-10H2,1H3,(H,21,22)
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n/an/a 10n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50160371
PNG
(7-Methoxy-6-oxazol-5-yl-3-(2-pyridin-4-yl-ethyl)-2...)
Show SMILES COc1cc2[nH]c(=S)n(CCc3ccncc3)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C19H16N4O3S/c1-25-16-9-15-13(8-14(16)17-10-21-11-26-17)18(24)23(19(27)22-15)7-4-12-2-5-20-6-3-12/h2-3,5-6,8-11H,4,7H2,1H3,(H,22,27)
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n/an/a 13n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50219013
PNG
(CHEMBL343205)
Show SMILES CCc1cc2c(cnc(OC)c2o1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
Show InChI InChI=1S/C16H13Cl2N3O4/c1-3-8-4-9-10(5-19-16(24-2)14(9)25-8)15(22)20-13-11(17)6-21(23)7-12(13)18/h4-7H,3H2,1-2H3,(H,20,22)
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n/an/a 14n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells


Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377178
PNG
(CHEMBL402174)
Show SMILES COc1ccc2ncn(-c3cccc(NC4CCNCC4)n3)c2c1
Show InChI InChI=1S/C18H21N5O/c1-24-14-5-6-15-16(11-14)23(12-20-15)18-4-2-3-17(22-18)21-13-7-9-19-10-8-13/h2-6,11-13,19H,7-10H2,1H3,(H,21,22)
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n/an/a 15n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50160379
PNG
(7-Methoxy-3-methyl-6-oxazol-5-yl-2-thioxo-2,3-dihy...)
Show SMILES COc1cc2[nH]c(=S)n(C)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C13H11N3O3S/c1-16-12(17)7-3-8(11-5-14-6-19-11)10(18-2)4-9(7)15-13(16)20/h3-6H,1-2H3,(H,15,20)
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n/an/a 17n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377150
PNG
(CHEMBL256504)
Show SMILES C1CNC[C@H](C1)Nc1cccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C17H19N5/c1-2-10-22-15(12-19-17(22)8-1)14-6-3-7-16(21-14)20-13-5-4-9-18-11-13/h1-3,6-8,10,12-13,18H,4-5,9,11H2,(H,20,21)/t13-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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n/an/a 20n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain


Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50373415
PNG
(CHEMBL256713)
Show SMILES COc1cc(ccc1NC(=O)c1cccc(n1)-c1cc[nH]n1)N1CCOCC1
Show InChI InChI=1S/C20H21N5O3/c1-27-19-13-14(25-9-11-28-12-10-25)5-6-17(19)23-20(26)18-4-2-3-15(22-18)16-7-8-21-24-16/h2-8,13H,9-12H2,1H3,(H,21,24)(H,23,26)
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n/an/a 20n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3211-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.058
BindingDB Entry DOI: 10.7270/Q28C9X3T
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50160378
PNG
(3-(3-Imidazol-1-yl-propyl)-7-methoxy-6-oxazol-5-yl...)
Show SMILES COc1cc2[nH]c(=S)n(CCCn3ccnc3)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C18H17N5O3S/c1-25-15-8-14-12(7-13(15)16-9-20-11-26-16)17(24)23(18(27)21-14)5-2-4-22-6-3-19-10-22/h3,6-11H,2,4-5H2,1H3,(H,21,27)
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n/an/a 22n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50219018
PNG
(CHEMBL148584)
Show SMILES COc1ncc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(oc12)C1CCOC1
Show InChI InChI=1S/C18H15Cl2N3O5/c1-26-18-16-10(4-14(28-16)9-2-3-27-8-9)11(5-21-18)17(24)22-15-12(19)6-23(25)7-13(15)20/h4-7,9H,2-3,8H2,1H3,(H,22,24)
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n/an/a 23n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells


Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50219014
PNG
(CHEMBL149559)
Show SMILES CCc1cc2c(cnc(OC(F)F)c2o1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
Show InChI InChI=1S/C16H11Cl2F2N3O4/c1-2-7-3-8-9(4-21-15(13(8)26-7)27-16(19)20)14(24)22-12-10(17)5-23(25)6-11(12)18/h3-6,16H,2H2,1H3,(H,22,24)
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n/an/a 28n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain


Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50160375
PNG
(7-Methoxy-6-oxazol-5-yl-2-thioxo-2,3-dihydro-1H-qu...)
Show SMILES COc1cc2[nH]c(=S)[nH]c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C12H9N3O3S/c1-17-9-3-8-6(11(16)15-12(19)14-8)2-7(9)10-4-13-5-18-10/h2-5H,1H3,(H2,14,15,16,19)
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n/an/a 30n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50174783
PNG
(1-tert-butyl 5-methyl (3S,5R)-7'-methoxy-3'-methyl...)
Show SMILES COC(=O)[C@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Nc1cc(OC)c(cc1C(=O)N2C)-c1cnco1
Show InChI InChI=1S/C23H28N4O7/c1-22(2,3)34-21(30)27-11-23(9-16(27)20(29)32-6)25-15-8-17(31-5)14(18-10-24-12-33-18)7-13(15)19(28)26(23)4/h7-8,10,12,16,25H,9,11H2,1-6H3/t16-,23+/m1/s1
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n/an/a 35n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibitory activity against IMPDH II


Bioorg Med Chem Lett 15: 5335-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.108
BindingDB Entry DOI: 10.7270/Q2CZ36P8
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50240128
PNG
(6-(H-imidazo[1,2-a]pyridin-3-yl)-N-(piperidin-4-yl...)
Show SMILES C1CC(CCN1)Nc1cccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C17H19N5/c1-2-11-22-15(12-19-17(22)6-1)14-4-3-5-16(21-14)20-13-7-9-18-10-8-13/h1-6,11-13,18H,7-10H2,(H,20,21)
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n/an/a 35n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 18: 3291-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.039
BindingDB Entry DOI: 10.7270/Q2NZ87FX
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50240128
PNG
(6-(H-imidazo[1,2-a]pyridin-3-yl)-N-(piperidin-4-yl...)
Show SMILES C1CC(CCN1)Nc1cccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C17H19N5/c1-2-11-22-15(12-19-17(22)6-1)14-4-3-5-16(21-14)20-13-7-9-18-10-8-13/h1-6,11-13,18H,7-10H2,(H,20,21)
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n/an/a 35n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377152
PNG
(CHEMBL437208 | US11254667, Compound I-12 | US11542...)
Show SMILES C1NCC1Nc1cccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C15H15N5/c1-2-7-20-13(10-17-15(20)6-1)12-4-3-5-14(19-12)18-11-8-16-9-11/h1-7,10-11,16H,8-9H2,(H,18,19)
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n/an/a 39n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50174782
PNG
(CHEMBL198729 | N,N-diethyl-7'-methoxy-3'-methyl-6'...)
Show SMILES CCN(CC)C(=O)N1CCC2(C1)Nc1cc(OC)c(cc1C(=O)N2C)-c1cnco1
Show InChI InChI=1S/C21H27N5O4/c1-5-25(6-2)20(28)26-8-7-21(12-26)23-16-10-17(29-4)15(18-11-22-13-30-18)9-14(16)19(27)24(21)3/h9-11,13,23H,5-8,12H2,1-4H3
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n/an/a 45n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibitory activity against IMPDH II


Bioorg Med Chem Lett 15: 5335-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.108
BindingDB Entry DOI: 10.7270/Q2CZ36P8
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50160374
PNG
(3-[2-(1H-Imidazol-4-yl)-ethyl]-7-methoxy-6-oxazol-...)
Show SMILES COc1cc2[nH]c(=O)n(CCc3cnc[nH]3)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C17H15N5O4/c1-25-14-5-13-11(4-12(14)15-7-19-9-26-15)16(23)22(17(24)21-13)3-2-10-6-18-8-20-10/h4-9H,2-3H2,1H3,(H,18,20)(H,21,24)
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n/an/a 47n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50219016
PNG
(CHEMBL149081)
Show SMILES COCc1cc2c(cnc(OC)c2o1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
Show InChI InChI=1S/C16H13Cl2N3O5/c1-24-7-8-3-9-10(4-19-16(25-2)14(9)26-8)15(22)20-13-11(17)5-21(23)6-12(13)18/h3-6H,7H2,1-2H3,(H,20,22)
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n/an/a 47n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells


Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50219009
PNG
(CHEMBL149777)
Show SMILES COc1ncc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(oc12)C1CCOCC1
Show InChI InChI=1S/C19H17Cl2N3O5/c1-27-19-17-11(6-15(29-17)10-2-4-28-5-3-10)12(7-22-19)18(25)23-16-13(20)8-24(26)9-14(16)21/h6-10H,2-5H2,1H3,(H,23,25)
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n/an/a 47n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells


Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50219012
PNG
(CHEMBL359035)
Show SMILES COc1ncc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(oc12)C1(CCN(CC1)C(=O)OC(C)(C)C)OC
Show InChI InChI=1S/C25H28Cl2N4O7/c1-24(2,3)38-23(33)30-8-6-25(36-5,7-9-30)18-10-14-15(11-28-22(35-4)20(14)37-18)21(32)29-19-16(26)12-31(34)13-17(19)27/h10-13H,6-9H2,1-5H3,(H,29,32)
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n/an/a 48n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells


Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377161
PNG
(CHEMBL256733)
Show SMILES CN(C)C(=O)c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C20H24N6O/c1-25(2)20(27)14-6-7-19-22-12-17(26(19)13-14)16-4-3-5-18(24-16)23-15-8-10-21-11-9-15/h3-7,12-13,15,21H,8-11H2,1-2H3,(H,23,24)
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n/an/a 49n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50174790
PNG
(7-methoxy-2,3-dimethyl-6-(oxazol-5-yl)-2-styryl-2,...)
Show SMILES COc1cc2NC(C)(\C=C\c3ccccc3)N(C)C(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C22H21N3O3/c1-22(10-9-15-7-5-4-6-8-15)24-18-12-19(27-3)17(20-13-23-14-28-20)11-16(18)21(26)25(22)2/h4-14,24H,1-3H3/b10-9+
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n/an/a 49n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibitory activity against IMPDH II


Bioorg Med Chem Lett 15: 5335-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.108
BindingDB Entry DOI: 10.7270/Q2CZ36P8
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50174792
PNG
(CHEMBL199075 | N-(2,4-difluorophenyl)-7'-methoxy-N...)
Show SMILES COc1cc2NC3(CCN(C3)C(=O)N(C)c3ccc(F)cc3F)N(C)C(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C24H23F2N5O4/c1-29(19-5-4-14(25)8-17(19)26)23(33)31-7-6-24(12-31)28-18-10-20(34-3)16(21-11-27-13-35-21)9-15(18)22(32)30(24)2/h4-5,8-11,13,28H,6-7,12H2,1-3H3
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n/an/a 51n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibitory activity against IMPDH II


Bioorg Med Chem Lett 15: 5335-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.108
BindingDB Entry DOI: 10.7270/Q2CZ36P8
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50219015
PNG
(CHEMBL146865)
Show SMILES COc1ncc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(oc12)-c1cccnc1
Show InChI InChI=1S/C19H12Cl2N4O4/c1-28-19-17-11(5-15(29-17)10-3-2-4-22-6-10)12(7-23-19)18(26)24-16-13(20)8-25(27)9-14(16)21/h2-9H,1H3,(H,24,26)
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n/an/a 62n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells


Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377164
PNG
(CHEMBL255445)
Show SMILES C1CC(CCN1)Nc1cccc(n1)-c1cnc2ccc(cn12)-c1ccc[nH]1
Show InChI InChI=1S/C21H22N6/c1-3-18(26-20(5-1)25-16-8-11-22-12-9-16)19-13-24-21-7-6-15(14-27(19)21)17-4-2-10-23-17/h1-7,10,13-14,16,22-23H,8-9,11-12H2,(H,25,26)
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n/an/a 63n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50174796
PNG
(7'-methoxy-N,3'-dimethyl-6'-(1,3-oxazol-5-yl)-4'-o...)
Show SMILES COc1cc2NC3(CCN(C3)C(=O)N(C)c3ccccc3)N(C)C(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C24H25N5O4/c1-27(16-7-5-4-6-8-16)23(31)29-10-9-24(14-29)26-19-12-20(32-3)18(21-13-25-15-33-21)11-17(19)22(30)28(24)2/h4-8,11-13,15,26H,9-10,14H2,1-3H3
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n/an/a 64n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibitory activity against IMPDH II


Bioorg Med Chem Lett 15: 5335-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.108
BindingDB Entry DOI: 10.7270/Q2CZ36P8
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50219010
PNG
(CHEMBL151634)
Show SMILES CCc1cc2c(cnc(OC)c2o1)C(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C17H14F2N2O3/c1-3-9-7-10-11(8-20-17(23-2)15(10)24-9)16(22)21-14-12(18)5-4-6-13(14)19/h4-8H,3H2,1-2H3,(H,21,22)
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n/an/a 66n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells


Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50174795
PNG
(7'-methoxy-3'-methyl-6'-(1,3-oxazol-5-yl)-1-[(pipe...)
Show SMILES COc1cc2NC3(CCN(C3)C(=O)N3CCCCC3)N(C)C(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C22H27N5O4/c1-25-20(28)15-10-16(19-12-23-14-31-19)18(30-2)11-17(15)24-22(25)6-9-27(13-22)21(29)26-7-4-3-5-8-26/h10-12,14,24H,3-9,13H2,1-2H3
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n/an/a 68n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibitory activity against IMPDH II


Bioorg Med Chem Lett 15: 5335-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.108
BindingDB Entry DOI: 10.7270/Q2CZ36P8
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50240127
PNG
(6-(1H-benzo[d]imidazol-1-yl)-N-(piperidin-4-yl)pyr...)
Show SMILES C1CC(CCN1)Nc1cccc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C17H19N5/c1-2-5-15-14(4-1)19-12-22(15)17-7-3-6-16(21-17)20-13-8-10-18-11-9-13/h1-7,12-13,18H,8-11H2,(H,20,21)
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n/an/a 70n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 18: 3291-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.039
BindingDB Entry DOI: 10.7270/Q2NZ87FX
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50240127
PNG
(6-(1H-benzo[d]imidazol-1-yl)-N-(piperidin-4-yl)pyr...)
Show SMILES C1CC(CCN1)Nc1cccc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C17H19N5/c1-2-5-15-14(4-1)19-12-22(15)17-7-3-6-16(21-17)20-13-8-10-18-11-9-13/h1-7,12-13,18H,8-11H2,(H,20,21)
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n/an/a 70n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50160368
PNG
(7-Methoxy-3-(2-morpholin-4-yl-ethyl)-6-oxazol-5-yl...)
Show SMILES COc1cc2[nH]c(=S)n(CCN3CCOCC3)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C18H20N4O4S/c1-24-15-9-14-12(8-13(15)16-10-19-11-26-16)17(23)22(18(27)20-14)3-2-21-4-6-25-7-5-21/h8-11H,2-7H2,1H3,(H,20,27)
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n/an/a 71n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50174789
PNG
(7'-methoxy-3'-methyl-6'-(1,3-oxazol-5-yl)-4'-oxo-N...)
Show SMILES COc1cc2NC3(CCN(C3)C(=O)N(C(C)C)C(C)C)N(C)C(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C23H31N5O4/c1-14(2)28(15(3)4)22(30)27-8-7-23(12-27)25-18-10-19(31-6)17(20-11-24-13-32-20)9-16(18)21(29)26(23)5/h9-11,13-15,25H,7-8,12H2,1-6H3
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n/an/a 71n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibitory activity against IMPDH II


Bioorg Med Chem Lett 15: 5335-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.108
BindingDB Entry DOI: 10.7270/Q2CZ36P8
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50182922
PNG
(1-(benzyloxy)-3-(3-(pyridin-4-yl)-1H-indol-6-yl)ur...)
Show SMILES O=C(NOCc1ccccc1)Nc1ccc2c(c[nH]c2c1)-c1ccncc1
Show InChI InChI=1S/C21H18N4O2/c26-21(25-27-14-15-4-2-1-3-5-15)24-17-6-7-18-19(13-23-20(18)12-17)16-8-10-22-11-9-16/h1-13,23H,14H2,(H2,24,25,26)
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n/an/a 76n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2


Bioorg Med Chem Lett 16: 2539-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.090
BindingDB Entry DOI: 10.7270/Q2F76C4P
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50174785
PNG
(CHEMBL372753 | N,7'-dimethoxy-N,3'-dimethyl-6'-(1,...)
Show SMILES CON(C)C(=O)N1CCC2(C1)Nc1cc(OC)c(cc1C(=O)N2C)-c1cnco1
Show InChI InChI=1S/C19H23N5O5/c1-22-17(25)12-7-13(16-9-20-11-29-16)15(27-3)8-14(12)21-19(22)5-6-24(10-19)18(26)23(2)28-4/h7-9,11,21H,5-6,10H2,1-4H3
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n/an/a 79n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibitory activity against IMPDH II


Bioorg Med Chem Lett 15: 5335-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.108
BindingDB Entry DOI: 10.7270/Q2CZ36P8
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50174791
PNG
(CHEMBL197163 | ethyl 7'-methoxy-3'-methyl-6'-(1,3-...)
Show SMILES CCOC(=O)N1CCC2(C1)Nc1cc(OC)c(cc1C(=O)N2C)-c1cnco1
Show InChI InChI=1S/C19H22N4O5/c1-4-27-18(25)23-6-5-19(10-23)21-14-8-15(26-3)13(16-9-20-11-28-16)7-12(14)17(24)22(19)2/h7-9,11,21H,4-6,10H2,1-3H3
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n/an/a 80n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibitory activity against IMPDH II


Bioorg Med Chem Lett 15: 5335-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.108
BindingDB Entry DOI: 10.7270/Q2CZ36P8
More data for this
Ligand-Target Pair
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